1-[1-[2-(3-bromophenoxy)ethyl]imidazol-4-yl]-N-methylmethanamine

C13H16BrN3O — CID 106718361

IUPAC1-[1-[2-(3-bromophenoxy)ethyl]imidazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(CCOc2cccc(Br)c2)cn1
InChIInChI=1S/C13H16BrN3O/c1-15-8-12-9-17(10-16-12)5-6-18-13-4-2-3-11(14)7-13/h2-4,7,9-10,15H,5-6,8H2,1H3
InChIKeyWCYHLAPAZDODPC-UHFFFAOYSA-N
MW310.19 g/mol
LogP2.44
Rot. Bonds6

About 1-[1-[2-(3-bromophenoxy)ethyl]imidazol-4-yl]-N-methylmethanamine

1-[1-[2-(3-bromophenoxy)ethyl]imidazol-4-yl]-N-methylmethanamine (PubChem CID 106718361) has the molecular formula C13H16BrN3O and a molecular weight of 310.19 g/mol. Its IUPAC name is 1-[1-[2-(3-bromophenoxy)ethyl]imidazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[2-(3-bromophenoxy)ethyl]imidazol-4-yl]-N-methylmethanamine
PubChem CID106718361
Molecular FormulaC13H16BrN3O
Molecular Weight310.19 g/mol
Exact Mass309.05
IUPAC Name1-[1-[2-(3-bromophenoxy)ethyl]imidazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(CCOc2cccc(Br)c2)cn1
InChIInChI=1S/C13H16BrN3O/c1-15-8-12-9-17(10-16-12)5-6-18-13-4-2-3-11(14)7-13/h2-4,7,9-10,15H,5-6,8H2,1H3
InChIKeyWCYHLAPAZDODPC-UHFFFAOYSA-N
XLogP2.44
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[2-(3-bromophenoxy)ethyl]imidazol-4-yl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-[2-(3-bromophenoxy)ethyl]pyrazol-4-yl]methyl]ethanamine
CID 55110916
N-[[1-[2-(3-bromophenoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 62458300
(5R)-3-[2-(3-bromophenoxy)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7171073
3-amino-5-bromo-1-[2-(3-bromophenoxy)ethyl]pyridin-4-one
CID 103961936
2-(3-bromophenoxy)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 62119001
1-[3-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62446862
(5S)-3-[2-(3-bromophenoxy)ethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7178203
1-[2-(3-bromophenoxy)ethyl]benzimidazole;oxalic acid
CID 2966083
1-[2-(3-bromophenoxy)ethyl]pyrazol-4-ol
CID 116799367
1-bromo-3-(4-methylpentoxy)benzene
CID 83156174
2-[2-(3-bromophenoxy)ethyl]-1,3-dihydroisoindole
CID 62205043
1-[2-(3-bromophenoxy)ethyl]pyrrole-2,5-dione
CID 82124588

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(3-bromophenoxy)ethyl]imidazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[2-(3-bromophenoxy)ethyl]imidazol-4-yl]-N-methylmethanamine (CID 106718361) is 1-[1-[2-(3-bromophenoxy)ethyl]imidazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[2-(3-bromophenoxy)ethyl]imidazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[2-(3-bromophenoxy)ethyl]imidazol-4-yl]-N-methylmethanamine is CNCc1cn(CCOc2cccc(Br)c2)cn1.
What is the InChIKey of 1-[1-[2-(3-bromophenoxy)ethyl]imidazol-4-yl]-N-methylmethanamine?
The InChIKey is WCYHLAPAZDODPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c1-15-8-12-9-17(10-16-12)5-6-18-13-4-2-3-11(14)7-13/h2-4,7,9-10,15H,5-6,8H2,1H3.
What are the key properties of 1-[1-[2-(3-bromophenoxy)ethyl]imidazol-4-yl]-N-methylmethanamine?
1-[1-[2-(3-bromophenoxy)ethyl]imidazol-4-yl]-N-methylmethanamine has a molecular weight of 310.19 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(3-bromophenoxy)ethyl]imidazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 106718361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).